4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide

C10H11BrFNO3S — CID 123340328

IUPAC4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Br
InChIInChI=1S/C10H11BrFNO3S/c1-3-6-4-7(9(12)5-8(6)11)10(14)13-17(2,15)16/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyDHTHVSGIRXWVBN-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.84
Rot. Bonds3

About 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide

4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 123340328) has the molecular formula C10H11BrFNO3S and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide
PubChem CID123340328
Molecular FormulaC10H11BrFNO3S
Molecular Weight324.17 g/mol
Exact Mass322.96
IUPAC Name4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Br
InChIInChI=1S/C10H11BrFNO3S/c1-3-6-4-7(9(12)5-8(6)11)10(14)13-17(2,15)16/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyDHTHVSGIRXWVBN-UHFFFAOYSA-N
XLogP1.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide (CID 123340328) is 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide is CCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is DHTHVSGIRXWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3S/c1-3-6-4-7(9(12)5-8(6)11)10(14)13-17(2,15)16/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide?
4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 324.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 123340328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).